Found 8 results

Search term: MF = 'C_{31}H_{58}N_{2}O_{10}'
ChemSpider 2D Image | (2S,3S,4R,5S,8R,10R,11R,12S,13S,14R)-2-Ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadecan-11-yl 3-[acetyl(methyl)amino]-3,4,6-trideoxy-beta-D-xylo-hexopyranosi de | C31H58N2O10

(2S,3S,4R,5S,8R,10R,11R,12S,13S,14R)-2-Ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadecan-11-yl 3-[acetyl(methyl)amino]-3,4,6-trideoxy-β-D-xylo-hexopyranosi de

  • Molecular FormulaC31H58N2O10
  • Average mass618.800 Da
  • Monoisotopic mass618.409119 Da
  • ChemSpider ID8230149

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S,3S,4R,5S,8R,10R,11R,12S,13S,14R)-2-Ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadecan-11-yl 3-[acetyl(methyl)amino]-3,4,6-trideoxy-β-D-xylo-hexopyranosi de [ACD/IUPAC Name]
(2S,3S,4R,5S,8R,10R,11R,12S,13S,14R)-2-Ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadecan-11-yl-3-[acetyl(methyl)amino]-3,4,6-tridesoxy-β-D-xylo-hexopyranos id [German] [ACD/IUPAC Name]
1-Oxa-6-azacyclopentadecan-15-one, 11-[[3-(acetylmethylamino)-3,4,6-trideoxy-β-D-xylo-hexopyranosyl]oxy]-2-ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-, (2S,3S,4R,5S,8R,10R,11R,12S,13 S,14R)- [ACD/Index Name]
3-[Acétyl(méthyl)amino]-3,4,6-tridésoxy-β-D-xylo-hexopyranoside de (2S,3S,4R,5S,8R,10R,11R,12S,13S,14R)-2-éthyl-3,4,10,13-tétrahydroxy-3,5,6,8,10,12,14-heptaméthyl-15-oxo-1-oxa-6-azacyclopentadécan -11-yle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 774.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.5±6.0 kJ/mol
Flash Point: 422.1±32.9 °C
Index of Refraction: 1.541
Molar Refractivity: 162.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 1.19
ACD/LogD (pH 5.5): -1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.03
Polar Surface Area: 169 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 516.1±5.0 cm3

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